ChemDiv2_003735
TL;DR: ChemDiv2_003735 (CAS 304650-64-4) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9-dimethoxy-3-methylspiro[6H-[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane]
Also Known As: ChemDiv2_003735, IDI1_002450, BAS 01365887, 8,9-dimethoxy-3-methylspiro[6H-[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane], 8',9'-dimethoxy-3'-methyl-5',6'-dihydrospiro(cyclopentane-1,5'-[1,2,4]triazolo[3,4-a]isoquinoline)
| Molecular Formula | C17H21N3O2 |
|---|---|
| Molecular Weight | 299.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1634 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 304650-64-4 |
|---|---|
| SMILES | CC1=NN=C2N1C3(CCCC3)CC4=CC(=C(C=C42)OC)OC |
| InChIKey | XMFJHANHXYIDSH-UHFFFAOYSA-N |
Product Overview
ChemDiv2_003735 (CAS 304650-64-4), with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol. IUPAC: 8,9-dimethoxy-3-methylspiro[6H-[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane].
Chemical Property Profile of ChemDiv2_003735
Property Insights of ChemDiv2_003735
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003735. With a topological polar surface area (TPSA) of 49.2 Ų, ChemDiv2_003735 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_003735 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_003735?
The CAS number of ChemDiv2_003735 is 304650-64-4.
What is the molecular formula of ChemDiv2_003735?
The molecular formula of ChemDiv2_003735 is C17H21N3O2.
What is the molecular weight of ChemDiv2_003735?
The molecular weight of ChemDiv2_003735 is 299.16 g/mol.
Where can I buy ChemDiv2_003735?
You can request a quote for ChemDiv2_003735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003735?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.